HRID171296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6918

3-Thiophenecarboxylic acid

C5H4O2S

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID118889

Benzenamine, 3-iodo-4-methyl- (9CI)

C7H8IN

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

HCID21914512

N-(3-Iodo-4-methylphenyl)thiophene-3-carboxamide

C12H10INOS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bf4dd9432b64c0d8d24404a88bd2a28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[I:43][c:44]1[cH:45][c:46]([NH2:47])[cH:48][cH:49][c:50]1[CH3:51].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[P-:9]([F:10])([F:11])([F:12])([F:13])([F:14])[F:15].[n:16]1([O:17][C:18]([N:19]([CH3:20])[CH3:21])=[N+:22]([CH3:23])[CH3:24])[c:25]2[n:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]1.[s:1]1[cH:2][c:3]([C:6](=[O:7])[OH:8])[cH:4][cH:5]1>>[s:1]1[cH:2][c:3]([C:6](=[O:8])[NH:47][c:46]2[cH:45][c:44]([I:43])[c:50]([CH3:51])[cH:49][cH:48]2)[cH:4][cH:5]1